SCHEMBL1703020

SCHEMBL1703020

CCCCCOC([O])c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LTA4H P09960 1/20 0.44
TSHR P16473 3/20 0.43
CYP3A4 P08684 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 1/20 0.43
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11386819 0.98 NPC1 (0.48) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL8376499 0.98 NPC1 (0.48) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL9171396 0.98 NPC1 (0.48) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL6537081 0.98 NPC1 (0.48) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL6588121 0.94 LTA4H (0.44) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL9642930 0.86 LMNA (0.41) LMNASMN1; SMN2TSHRCYP3A4MAPK1
SCHEMBL11758566 0.83 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2TSHRTP53
SCHEMBL8955954 0.81 LTA4H (0.44) LMNANPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL14380431 0.81 KCNH2 (0.56) LMNASMN1; SMN2TSHRMAPK1CHRM2
SCHEMBL10761888 0.81 LTA4H (0.47) LMNANPC1RAB9ASMN1; SMN2LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS UNIVERSITE DE SHERBROOKE (CA) 2015-06-04 US claimed
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S.E.C. (CA) 2012-05-17 US claimed
EP-2440533-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS Socpra-Sciences Et Génie S.E.C. (CA) 2012-04-18 EP claimed
WO-2010142027-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S. E. C. (CA) 2010-12-16 WO claimed
US-20080269258-A1 Riboswitches, Structure-Based Compound Design with Riboswitches, and Methods and Compositions for Use of and with Riboswitches THE REGENTS OF THE UNIVERSITY OF COLORADO 2008-10-30 US claimed
US-20080262231-A1 Processes for Preparing Morphinans and Intermediates Thereof LIEBEL-FLARSHEIM COMPANY LLC 2008-10-23 US claimed
EP-1828953-A2 RIBOSWITCHES, STRUCTURE-BASED COMPOUND DESIGN WITH RIBOSWITCHES, AND METHODS AND COMPOSITIONS FOR USE OF AND WITH RIBOSWITCHES Yale University Corporation (US) 2007-09-05 EP claimed
WO-2006055351-A2 STRUCTURE-BASED COMPOUND DESIGN INVOLVING RIBOSWITCHES YALE UNIVERSITY (US) 2006-05-26 WO claimed
EP-3692017-A1 SULFUR-CONTAINING COMPOUNDS AND POLYMERS AND THE USE THEREOF IN ELECTROCHEMICAL CELLS Hydro-Québec (CA) 2020-08-12 EP disclosed
US-9993491-B2 Guanine riboswitch binding compounds and their use as antibiotics SOCPRA—SCIENCES ET GÉNIE S.E.C. (CA) 2018-06-12 US disclosed
EP-2440533-B1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA SCIENCES ET GÉNIE S E C (CA) 2015-09-23 EP disclosed
US-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS UNIVERSITE DE SHERBROOKE (CA) 2015-06-04 US disclosed
EP-1828953-B1 Crystalline xpt guanine riboswitch from Bacillus subtilis and structure-based compound identification employing said riboswitch YALE UNIVERSITY CORP (US) 2013-03-06 EP disclosed
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS SOCPRA - SCIENCES ET GENIE S.E.C. (CA) 2012-05-17 US disclosed
US-20040023984-A1 Compounds for the treatment of alzheimer's disease BONNIE DAVIS 2004-02-05 US disclosed
US-6569848-B1 Analogs of galanthamine; cholinesterase inhibitors Davis, Bonnie 2003-05-27 US disclosed
US-6319919-B1 INHIBITING ACETYL CHOLINESTERASE ACTIVITY Davis, Bonnie 2001-11-20 US disclosed
US-6268358-B1 Compounds for the treatment of Alzheimer's disease Davis, Bonnie 2001-07-31 US disclosed
US-6150354-A TREATING ALZHEIMER'S DISEASE AND RELATED DEMENTIAS BY TREATMENT WITH DERIVATIVES OF GALANTHAMINE BY INHIBITING CHOLINESTERASE ACTIVITY IN A PATIENT Davis, Bonnie (US) 2000-11-21 US disclosed
EP-0393607-A2 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080269258-A1 Riboswitches, Structure-Based Compound Design with Riboswitches, and Methods and Compositions for Use of and with Riboswitches RNGTT, SRRT, ATF4 LMNA 1814/4885NPC1 4435/4885RAB9A 3918/4885
US-20080262231-A1 Processes for Preparing Morphinans and Intermediates Thereof NME2, NISCH, NME1 LMNA 199/4885NPC1 3717/4885RAB9A 1268/4885
US-20150150890-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS GDA, RNMT, GNPDA1 LMNA 3267/4885NPC1 4063/4885RAB9A 890/4885
US-20040023984-A1 Compounds for the treatment of alzheimer's disease GALC, PSEN1, ACHE LMNA 1543/4885NPC1 641/4885RAB9A 2373/4885
US-20120122819-A1 GUANINE RIBOSWITCH BINDING COMPOUNDS AND THEIR USE AS ANTIBIOTICS GDA, RNMT, GNPDA1 LMNA 3267/4885NPC1 4063/4885RAB9A 890/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.